1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid

C19H13F2NO3 — CID 59775027

IUPAC1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C(c2ccc(F)cc2)c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H13F2NO3/c20-14-7-3-12(4-8-14)17(13-5-9-15(21)10-6-13)22-11-1-2-16(18(22)23)19(24)25/h1-11,17H,(H,24,25)
InChIKeyKSODPRAEKYMDKR-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.46
Rot. Bonds4

About 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid

1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 59775027) has the molecular formula C19H13F2NO3 and a molecular weight of 341.31 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
PubChem CID59775027
Molecular FormulaC19H13F2NO3
Molecular Weight341.31 g/mol
Exact Mass341.09
IUPAC Name1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C(c2ccc(F)cc2)c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H13F2NO3/c20-14-7-3-12(4-8-14)17(13-5-9-15(21)10-6-13)22-11-1-2-16(18(22)23)19(24)25/h1-11,17H,(H,24,25)
InChIKeyKSODPRAEKYMDKR-UHFFFAOYSA-N
XLogP3.46
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid (CID 59775027) is 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(C(c2ccc(F)cc2)c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is KSODPRAEKYMDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3/c20-14-7-3-12(4-8-14)17(13-5-9-15(21)10-6-13)22-11-1-2-16(18(22)23)19(24)25/h1-11,17H,(H,24,25).
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 341.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 59775027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).